N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H22N2O6S2 — CID 55428644

IUPACN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H22N2O6S2/c1-4-25-17-7-5-14(12-18(17)28(23,24)20(2)3)19-27(21,22)15-6-8-16-13(11-15)9-10-26-16/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyJIAAVYZPSSDXNG-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.07
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 55428644) has the molecular formula C18H22N2O6S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID55428644
Molecular FormulaC18H22N2O6S2
Molecular Weight426.52 g/mol
Exact Mass426.09
IUPAC NameN-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H22N2O6S2/c1-4-25-17-7-5-14(12-18(17)28(23,24)20(2)3)19-27(21,22)15-6-8-16-13(11-15)9-10-26-16/h5-8,11-12,19H,4,9-10H2,1-3H3
InChIKeyJIAAVYZPSSDXNG-UHFFFAOYSA-N
XLogP2.07
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 55428644) is N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is JIAAVYZPSSDXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S2/c1-4-25-17-7-5-14(12-18(17)28(23,24)20(2)3)19-27(21,22)15-6-8-16-13(11-15)9-10-26-16/h5-8,11-12,19H,4,9-10H2,1-3H3.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 426.52 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 55428644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).